Eurylene
PubChem CID: 179304
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| Compound Synonyms | Eurylene, 134856-96-5, DTXSID80159000, [(1R,4S)-4-acetyloxy-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate, 2,5-Furandimethanol, alpha2,alpha2'-1,2-ethanediylbis(tetrahydro-alpha5,2-dimethyl-alpha5-(4-methyl-3-pentenyl)-,alpha2,alpha2'-diacetate, (alpha2R,alpha2'S,alpha5S,alpha5'S,2S,2'R,5R,5'R)-, ()-Eurylene, ((1R,4S)-4-acetyloxy-1-((2S,5R)-5-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl)-4-((2R,5R)-5-((2S)-2-hydroxy-6-methylhept-5-en-2-yl)-2-methyloxolan-2-yl)butyl) acetate, (+)-Eurylene, CHEMBL64581, DTXCID3081491 |
|---|---|
| Prediction Swissadme | 0.0 |
| Topological Polar Surface Area | 112.0 |
| Hydrogen Bond Donor Count | 2.0 |
| Inchi Key | UEWPQEARKYIFFJ-ANMVGWMBSA-N |
| Fcsp3 | 0.8235294117647058 |
| Rotatable Bond Count | 17.0 |
| Heavy Atom Count | 42.0 |
| Compound Name | Eurylene |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 594.413 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 594.413 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 904.0 |
| Hydrogen Bond Acceptor Count | 8.0 |
| Molecular Weight | 594.8 |
| Database Name | cmaup_ingredients;pubchem |
| Covalent Unit Count | 1.0 |
| Defined Atom Stereocenter Count | 8.0 |
| Iupac Name | [(1R,4S)-4-acetyloxy-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]-4-[(2R,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]butyl] acetate |
| Total Atom Stereocenter Count | 8.0 |
| Total Bond Stereocenter Count | 0.0 |
| Prediction Hob | 0.0 |
| Esol | -6.148146000000003 |
| Inchi | InChI=1S/C34H58O8/c1-23(2)13-11-19-31(7,37)27-17-21-33(9,41-27)29(39-25(5)35)15-16-30(40-26(6)36)34(10)22-18-28(42-34)32(8,38)20-12-14-24(3)4/h13-14,27-30,37-38H,11-12,15-22H2,1-10H3/t27-,28-,29-,30+,31+,32+,33+,34-/m1/s1 |
| Smiles | CC(=CCC[C@@](C)([C@H]1CC[C@@](O1)(C)[C@@H](CC[C@@H]([C@]2(CC[C@@H](O2)[C@](C)(CCC=C(C)C)O)C)OC(=O)C)OC(=O)C)O)C |
| Xlogp | 5.9 |
| Defined Bond Stereocenter Count | 0.0 |
| Molecular Formula | C34H58O8 |
- 1. Outgoing r'ship
FOUND_INto/from Aralidium Pinnatifidum (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Bersama Swinnyi (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Blainvillea Latifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Cheilanthes Marantae (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Euphorbia Resinifera (Plant) Rel Props:Source_db:cmaup_ingredients - 6. Outgoing r'ship
FOUND_INto/from Eurycoma Longifolia (Plant) Rel Props:Source_db:cmaup_ingredients - 7. Outgoing r'ship
FOUND_INto/from Eurycoma Sp (Plant) Rel Props:Source_db:cmaup_ingredients - 8. Outgoing r'ship
FOUND_INto/from Geigeria Schinzii (Plant) Rel Props:Source_db:cmaup_ingredients - 9. Outgoing r'ship
FOUND_INto/from Goniothalamus Undulatus (Plant) Rel Props:Source_db:cmaup_ingredients - 10. Outgoing r'ship
FOUND_INto/from Helichrysum Angustifolium (Plant) Rel Props:Source_db:cmaup_ingredients - 11. Outgoing r'ship
FOUND_INto/from Helichrysum Sutherlandii (Plant) Rel Props:Source_db:cmaup_ingredients - 12. Outgoing r'ship
FOUND_INto/from Leontice Kiangnanensis (Plant) Rel Props:Source_db:cmaup_ingredients - 13. Outgoing r'ship
FOUND_INto/from Lophocereus Marginatus (Plant) Rel Props:Source_db:cmaup_ingredients - 14. Outgoing r'ship
FOUND_INto/from Nemuaron Humboldtii (Plant) Rel Props:Source_db:cmaup_ingredients - 15. Outgoing r'ship
FOUND_INto/from Ophryosporus Charua (Plant) Rel Props:Source_db:cmaup_ingredients - 16. Outgoing r'ship
FOUND_INto/from Pachycereus Pringlei (Plant) Rel Props:Source_db:cmaup_ingredients - 17. Outgoing r'ship
FOUND_INto/from Papaver Radicatum (Plant) Rel Props:Source_db:cmaup_ingredients - 18. Outgoing r'ship
FOUND_INto/from Pinus Glauca (Plant) Rel Props:Source_db:cmaup_ingredients - 19. Outgoing r'ship
FOUND_INto/from Prosopis Kuntzei (Plant) Rel Props:Source_db:cmaup_ingredients - 20. Outgoing r'ship
FOUND_INto/from Pteris Spinulosa (Plant) Rel Props:Source_db:cmaup_ingredients - 21. Outgoing r'ship
FOUND_INto/from Stenocereus Thurberi (Plant) Rel Props:Source_db:cmaup_ingredients - 22. Outgoing r'ship
FOUND_INto/from Vitex Negundo (Plant) Rel Props:Source_db:cmaup_ingredients